2-(1-propylpiperidin-4-yl)ethan-1-amine

• ChemBase ID: 306967
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CCC(CC1)CCN)CCC
• Canonical SMILES: CCCN1CCC(CC1)CCN
• InChI: InChI=1S/C10H22N2/c1-2-7-12-8-4-10(3-6-11)5-9-12/h10H,2-9,11H2,1H3
• InChIKey: QYGQYVFXOCOETN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-propylpiperidin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(1-propylpiperidin-4-yl)ethanamine
• Synonyms: 2-(1-propylpiperidin-4-yl)ethanamine

Database IDs

• CAS Number: 915922-52-0
• MDL Number: MFCD08059794

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.368819
• LogD (pH = 7.4): -3.9773312
• Log P: 1.1078933
• Molar Refractivity: 54.1385 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2